Work

Enhanced piezoelectricity by phase transition in yttrium-doped carbon–boron clathrate ferroelectric

Year: 2025

Type: article

Abstract: Carbon–boron clathrate ferroelectrics have emerged as promising candidates for high-performance piezoelectric applications. In this work, we investigate the origin of phase transition and the evolution of a shear piezoelectric constant in a Y-doped ScB3C3 system using first-principle calculations. The polarization in ScB3C3 is primarily driven by the off-center displacement of Sc atoms. Y doping leads to a reduced c/b ratio and induces a phase transition from the orthorhombic to the rhombohedral phase. This transition originates from the competition between long-range and short-range ferroelectric orders, where Y acts as a disruptor of long-range order, allowing short-range interactions to favor [111] polarization displacements. As the Y content increases, the shear elastic stiffness constant c55 gradually decreases, resulting in a large d15 near the doping-induced phase boundary. These findings demonstrate that the piezoelectric properties of carbon–boron clathrate ferroelectrics can be effectively tuned through ion doping, highlighting their strong potential for next-generation high-performance piezoelectric applications.

Source: Journal of Applied Physics

DOI: 10.1063/5.0292082

Authors: Zhi Tan, Jie Xing, Jianguo Zhu

Institution: Sichuan University

Language: English

Topic: Ferroelectric and Piezoelectric Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,500

Funders: National Natural Science Foundation of China, Natural Science Foundation of Sichuan Province, Fundamental Research Funds for the Central Universities